4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine

C20H34N6 — CID 70714688

IUPAC4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
SMILESC1CCN(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C2CC2)C1
InChIInChI=1S/C20H34N6/c1-2-12-24(11-1)15-19-22-23-20(26(19)18-3-4-18)16-7-13-25(14-8-16)17-5-9-21-10-6-17/h16-18,21H,1-15H2
InChIKeyBBWLBULKFDMYIF-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.14
Rot. Bonds5

About 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine

4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine (PubChem CID 70714688) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
PubChem CID70714688
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Name4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
SMILESC1CCN(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C2CC2)C1
InChIInChI=1S/C20H34N6/c1-2-12-24(11-1)15-19-22-23-20(26(19)18-3-4-18)16-7-13-25(14-8-16)17-5-9-21-10-6-17/h16-18,21H,1-15H2
InChIKeyBBWLBULKFDMYIF-UHFFFAOYSA-N
XLogP2.14
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine with MolForge

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Related Compounds

4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylpropyl)piperidine
CID 70720739
4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70768111
[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70764406
6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70775845
1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 84600198
4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride
CID 154893250
1-benzyl-4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72880455
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 154794150
4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 72912999
1-piperidin-4-ylpiperidine chloride
CID 3083875

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine (CID 70714688) is 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine is C1CCN(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C2CC2)C1.
What is the InChIKey of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The InChIKey is BBWLBULKFDMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6/c1-2-12-24(11-1)15-19-22-23-20(26(19)18-3-4-18)16-7-13-25(14-8-16)17-5-9-21-10-6-17/h16-18,21H,1-15H2.
What are the key properties of 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine has a molecular weight of 358.53 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 70714688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).